Compile Data Set for Download or QSAR

Found 638 hits with Last Name = 'bey' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263483 (CHEMBL4082520) Show SMILES CN1C(=O)C2CN(Cc3c2c2cc(OCc4ccccc4)ccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C29H26N4O5/c1-31-28(35)23-15-32(29(31)36)16-25-26(23)22-13-21(38-17-19-5-3-2-4-6-19)11-12-24(22)33(25)14-18-7-9-20(10-8-18)27(34)30-37/h2-13,23,37H,14-17H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263441 (CHEMBL4100534) Show SMILES COc1ccc2n(Cc3ccc(cc3)C(=O)NO)c3CN4CC(c3c2c1)C(=O)N(C)C4=O Show InChI InChI=1S/C23H22N4O5/c1-25-22(29)17-11-26(23(25)30)12-19-20(17)16-9-15(32-2)7-8-18(16)27(19)10-13-3-5-14(6-4-13)21(28)24-31/h3-9,17,31H,10-12H2,1-2H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263449 (CHEMBL4101480) Show SMILES COc1ccc2n(Cc3ccc(cc3)C(=O)NO)c3CN4CC(c3c2c1)C(=O)N(C)C4 Show InChI InChI=1S/C23H24N4O4/c1-25-13-26-11-18(23(25)29)21-17-9-16(31-2)7-8-19(17)27(20(21)12-26)10-14-3-5-15(6-4-14)22(28)24-30/h3-9,18,30H,10-13H2,1-2H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263481 (CHEMBL4074800) Show SMILES CN1CN2CC(c3c(C2)n(Cc2ccc(cc2)C(=O)NO)c2ccccc32)C1=O Show InChI InChI=1S/C22H22N4O3/c1-24-13-25-11-17(22(24)28)20-16-4-2-3-5-18(16)26(19(20)12-25)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,17,29H,10-13H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263447 (CHEMBL4062190) Show SMILES COc1ccc2c3C4CN(Cc3n(Cc3ccc(cc3)C(=O)NO)c2c1)C(=O)N(C)C4=O Show InChI InChI=1S/C23H22N4O5/c1-25-22(29)17-11-26(23(25)30)12-19-20(17)16-8-7-15(32-2)9-18(16)27(19)10-13-3-5-14(6-4-13)21(28)24-31/h3-9,17,31H,10-12H2,1-2H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263484 (CHEMBL4092802) Show SMILES CN1C(=O)C2CN(Cc3c2c2cc(O)ccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O5/c1-24-21(29)16-10-25(22(24)30)11-18-19(16)15-8-14(27)6-7-17(15)26(18)9-12-2-4-13(5-3-12)20(28)23-31/h2-8,16,27,31H,9-11H2,1H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263451 (CHEMBL4065283) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=S Show InChI InChI=1S/C22H20N4O3S/c1-24-21(28)16-11-25(22(24)30)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-29/h2-9,16,29H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263482 (CHEMBL4072045) Show SMILES Cl.CN1C(=O)C2CN(Cc3c2c2cc(OCCN4CCOCC4)ccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C28H31N5O6.ClH/c1-30-27(35)22-16-32(28(30)36)17-24-25(22)21-14-20(39-13-10-31-8-11-38-12-9-31)6-7-23(21)33(24)15-18-2-4-19(5-3-18)26(34)29-37;/h2-7,14,22,37H,8-13,15-17H2,1H3,(H,29,34);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263448 (CHEMBL4075722) Show SMILES CN1CC2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H22N4O3/c1-24-11-16-12-25(22(24)28)13-19-20(16)17-4-2-3-5-18(17)26(19)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,16,29H,10-13H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125339 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O5S/c1-6-10-26-31-24(7-2)27(28(30)35)34(26)16-20-13-14-22(21(15-20)17-38-5)23-11-8-9-12-25(23)40(36,37)33-29-18(3)19(4)32-39-29/h8-9,11-15,33H,6-7,10,16-17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus-infected Sf21 insect cells using RHKK(Ac)AMC as substrate a...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263479 (CHEMBL4092880) Show SMILES [H][C@@]12CN(Cc3c1c1ccccc1n3Cc1ccc(cc1)C(=O)NO)C(=O)N(C)C2=O |r| Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged recombinant human NCOR2 (395 to 489 residues) expressed...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263450 (CHEMBL4083713) Show SMILES CN1C(=O)N2CC(c3c(C2)n(Cc2ccc(cc2)C(=O)NO)c2ccccc32)C1=S Show InChI InChI=1S/C22H20N4O3S/c1-24-21(30)16-11-25(22(24)28)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-29/h2-9,16,29H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125343 (2'-(3,3-Dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-4'-(...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C36H43N5O5S/c1-6-11-32-37-29-13-8-9-14-30(42)33(29)41(32)21-25-16-17-27(26(20-25)22-40-19-18-36(4,5)35(40)43)28-12-7-10-15-31(28)47(44,45)39-34-23(2)24(3)38-46-34/h7,10,12,15-17,20,39H,6,8-9,11,13-14,18-19,21-22H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human))	BDBM23489 ((1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-({4-[(2-met...) Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-12-18(20-6-4-5-7-22(20)26-16)15-32-19-10-8-17(9-11-19)13-25(24(30)28(2)3)14-21(25)23(29)27-31/h4-12,21,31H,13-15H2,1-3H3,(H,27,29)/t21-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...				J Med Chem 51: 725-36 (2008) Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125362 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-ethy...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(CC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263466 (CHEMBL4100615) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccc4ccccc4c2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C26H22N4O4/c1-28-25(32)20-13-29(26(28)33)14-21-22(20)19-11-10-16-4-2-3-5-18(16)23(19)30(21)12-15-6-8-17(9-7-15)24(31)27-34/h2-11,20,34H,12-14H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263477 (CHEMBL4073813) Show SMILES CN1C(=O)C2N(CCc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)19-18-15-4-2-3-5-16(15)26(17(18)10-11-25(19)22(24)29)12-13-6-8-14(9-7-13)20(27)23-30/h2-9,19,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125352 (2'-Methyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H34N4O4S/c1-5-10-28-31-25-12-7-8-13-26(35)29(25)34(28)18-22-15-16-23(19(2)17-22)24-11-6-9-14-27(24)39(36,37)33-30-20(3)21(4)32-38-30/h6,9,11,14-17,33H,5,7-8,10,12-13,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263452 (CHEMBL4066262) Show SMILES [H][C@]12CN(Cc3c1c1ccccc1n3Cc1ccc(cc1)C(=O)NO)C(=O)N(C)C2=O |r| Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125356 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-(2-f...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCCF)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H36FN5O5S/c1-5-9-27-33-25(6-2)28(29(32)37)36(27)17-21-12-13-23(22(16-21)18-40-15-14-31)24-10-7-8-11-26(24)42(38,39)35-30-19(3)20(4)34-41-30/h7-8,10-13,16,35H,5-6,9,14-15,17-18H2,1-4H3,(H2,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125359 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(29)34)33(25)16-20-13-14-21(17(3)15-20)22-11-8-9-12-24(22)38(35,36)32-28-18(4)19(5)31-37-28/h8-9,11-15,32H,6-7,10,16H2,1-5H3,(H2,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...				J Med Chem 51: 725-36 (2008) Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125350 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-etho...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H37N5O5S/c1-6-11-27-32-25(7-2)28(29(31)36)35(27)17-21-14-15-23(22(16-21)18-39-8-3)24-12-9-10-13-26(24)41(37,38)34-30-19(4)20(5)33-40-30/h9-10,12-16,34H,6-8,11,17-18H2,1-5H3,(H2,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125345 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-7-11-26-31-24(8-2)27(28(35)30-6)34(26)17-21-14-15-22(18(3)16-21)23-12-9-10-13-25(23)39(36,37)33-29-19(4)20(5)32-38-29/h9-10,12-16,33H,7-8,11,17H2,1-6H3,(H,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125339 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O5S/c1-6-10-26-31-24(7-2)27(28(30)35)34(26)16-20-13-14-22(21(15-20)17-38-5)23-11-8-9-12-25(23)40(36,37)33-29-18(3)19(4)32-39-29/h8-9,11-15,33H,6-7,10,16-17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125340 (2'-Methoxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrah...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H36N4O5S/c1-5-10-29-32-26-12-7-8-13-27(36)30(26)35(29)18-22-15-16-24(23(17-22)19-39-4)25-11-6-9-14-28(25)41(37,38)34-31-20(2)21(3)33-40-31/h6,9,11,14-17,34H,5,7-8,10,12-13,18-19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263453 (CHEMBL4065219) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(\C=C\C(=O)NO)cc2)C1=O Show InChI InChI=1S/C24H22N4O4/c1-26-23(30)18-13-27(24(26)31)14-20-22(18)17-4-2-3-5-19(17)28(20)12-16-8-6-15(7-9-16)10-11-21(29)25-32/h2-11,18,32H,12-14H2,1H3,(H,25,29)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50117911 (4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C29H34N4O4S/c1-4-5-12-26-30-29(17-8-9-18-29)28(34)33(26)19-22-13-15-23(16-14-22)24-10-6-7-11-25(24)38(35,36)32-27-20(2)21(3)31-37-27/h6-7,10-11,13-16,32H,4-5,8-9,12,17-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC10 expressed in baculovirus-infected insect cells using fluorogenic peptide RHKKAc as substrate by fluorimeter				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q] (Homo sapiens (Human))	BDBM23477 ((1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)m...) Show SMILES CC(C)NC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C25H27N3O4/c1-15(2)26-24(30)25(13-21(25)23(29)28-31)18-7-6-8-19(12-18)32-14-17-11-16(3)27-22-10-5-4-9-20(17)22/h4-12,15,21,31H,13-14H2,1-3H3,(H,26,30)(H,28,29)/t21-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-46.9	n/a	n/a	n/a	n/a	n/a	7.3	22
Schering-Plough Research Institute					Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...				J Med Chem 51: 725-36 (2008) Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50125360 (2'-Ethoxymethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahy...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C32H38N4O5S/c1-5-11-30-33-27-13-8-9-14-28(37)31(27)36(30)19-23-16-17-25(24(18-23)20-40-6-2)26-12-7-10-15-29(26)42(38,39)35-32-21(3)22(4)34-41-32/h7,10,12,15-18,35H,5-6,8-9,11,13-14,19-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125359 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(29)34)33(25)16-20-13-14-21(17(3)15-20)22-11-8-9-12-24(22)38(35,36)32-28-18(4)19(5)31-37-28/h8-9,11-15,32H,6-7,10,16H2,1-5H3,(H2,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125345 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...) Show SMILES CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-7-11-26-31-24(8-2)27(28(35)30-6)34(26)17-21-14-15-22(18(3)16-21)23-12-9-10-13-25(23)39(36,37)33-29-19(4)20(5)32-38-29/h9-10,12-16,33H,7-8,11,17H2,1-6H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50263480 (CHEMBL4081647) Show SMILES OC(=O)C(F)(F)F.ONC(=O)c1ccc(Cn2c3CN4CCC(C4)c3c3ccccc23)cc1 Show InChI InChI=1S/C21H21N3O2.C2HF3O2/c25-21(22-26)15-7-5-14(6-8-15)11-24-18-4-2-1-3-17(18)20-16-9-10-23(12-16)13-19(20)24;3-2(4,5)1(6)7/h1-8,16,26H,9-13H2,(H,22,25);(H,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125362 (3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-ethy...) Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(CC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H35N5O4S/c1-6-11-26-31-24(8-3)27(28(30)35)34(26)17-20-14-15-22(21(7-2)16-20)23-12-9-10-13-25(23)39(36,37)33-29-18(4)19(5)32-38-29/h9-10,12-16,33H,6-8,11,17H2,1-5H3,(H2,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 638 total )  |  Next  |  Last  >>

Jump to: